| SpectraBase Compound ID | DLZGaAidJui |
|---|---|
| InChI | InChI=1S/C54H64N10O31P4.2C6H15N/c1-27-21-63(53(73)59-47(27)67)43-17-33(65)37(89-43)23-85-96(75,76)93-35-19-45(61-15-13-41(57-51(61)71)55-49(69)29-5-9-31(83-3)10-6-29)91-39(35)25-87-98(79,80)95-99(81,82)88-26-40-36(94-97(77,78)86-24-38-34(66)18-44(90-38)64-22-28(2)48(68)60-54(64)74)20-46(92-40)62-16-14-42(58-52(62)72)56-50(70)30-7-11-32(84-4)12-8-30;2*1-4-7(5-2)6-3/h5-16,21-22,33-40,43-46,65-66H,17-20,23-26H2,1-4H3,(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,59,67,73)(H,60,68,74)(H,55,57,69,71)(H,56,58,70,72);2*4-6H2,1-3H3/t33-,34-,35-,36-,37+,38+,39+,40+,43+,44+,45+,46+;;/m0../s1 |
| InChIKey | WYACWMAOYCNWPQ-VSPMZSGQSA-N |
| Mol Weight | 1675.43 g/mol |
| Molecular Formula | C66H94N12O31P4 |
| Exact Mass | 1674.509842 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ebl1Ls1HI0 |
|---|---|
| Name | TETRANUCLEOTIDE PHOSPHORYLATED, TRIETHYLAMMONIUM SALT |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C66H94N12O31P4 |
| InChI | InChI=1S/C54H64N10O31P4.2C6H15N/c1-27-21-63(53(73)59-47(27)67)43-17-33(65)37(89-43)23-85-96(75,76)93-35-19-45(61-15-13-41(57-51(61)71)55-49(69)29-5-9-31(83-3)10-6-29)91-39(35)25-87-98(79,80)95-99(81,82)88-26-40-36(94-97(77,78)86-24-38-34(66)18-44(90-38)64-22-28(2)48(68)60-54(64)74)20-46(92-40)62-16-14-42(58-52(62)72)56-50(70)30-7-11-32(84-4)12-8-30;2*1-4-7(5-2)6-3/h5-16,21-22,33-40,43-46,65-66H,17-20,23-26H2,1-4H3,(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,59,67,73)(H,60,68,74)(H,55,57,69,71)(H,56,58,70,72);2*4-6H2,1-3H3/t33-,34-,35-,36-,37+,38+,39+,40+,43+,44+,45+,46+;;/m0../s1 |
| InChIKey | WYACWMAOYCNWPQ-VSPMZSGQSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C5H5N pyridine |